Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(C=CC(=O)N(CC2=CC=CC=N2)C2=NC3=C(S2)C=CC=C3Cl)=C1

InChIKey

InChIKey=KZAXJZBJCIFLNS-UHFFFAOYSA-N

Formula

C22H15ClN4O3S

Mass

450.9

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cinnamic acid or derivatives - 1,3-benzothiazole - Nitrobenzene - Nitroaromatic compound - Styrene - Aryl halide - Monocyclic benzene moiety - Pyridine - Aryl chloride - Benzenoid - Heteroaromatic compound - Azole - Tertiary carboxylic acid amide - Thiazole - Organic nitro compound - Carboxamide group - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic salt - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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